%chk=000125135.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125135

0 1
 S    6.615000       1.234700      0.9245000    
 O   0.1780000      -4.785800     -0.8294000    
 O   0.7606000     -0.4259000       3.997200    
 O    1.724100      -3.528600      0.2622000    
 O    2.060100     -0.3233000       2.136200    
 O   -5.275700      -1.311900      -2.047900    
 O   -4.293000       3.348100       1.924000    
 O   -3.589000      0.1320000      -2.530000    
 O   -3.311400       3.207000     -0.1201000    
 N   5.2400000E-02  -1.474100      0.6544000    
 N   -3.098700      0.4796000      0.1527000    
 N    5.178700       1.690700      -1.405100    
 C  -0.7401000     -0.2778000      0.3436000    
 C   -2.228000     -0.6684000      0.3889000    
 C  -0.3319000      0.2853000      -1.034600    
 C  -0.4951000      -2.637100     -3.8800001E-02
 C   8.1900001E-02  -1.700100       2.096900    
 C    1.129400      0.6577000      -1.132500    
 C   -4.427300      3.7599999E-02 -0.2720000    
 C   -3.197400       1.305400       1.356700    
 C    1.544500       1.946700     -0.7980000    
 C    2.063200     -0.2874000      -1.557400    
 C   0.5847000      -3.676300     -0.1615000    
 C    1.065800     -0.7445000       2.713600    
 C   -4.360600     -0.3649000      -1.719300    
 C   -3.602400       2.696500      0.9541000    
 C    2.893300       2.290600     -0.8883000    
 C    3.412000      5.6400001E-02  -1.647900    
 C    3.827000       1.345400      -1.313400    
 C    5.780000       1.492300     -0.4087000    
 H  -0.5211000      0.5078000       1.076100    
 H   -2.447500      -1.389700     -0.4040000    
 H   -2.514800      -1.150600       1.331500    
 H  -0.9231000       1.184900      -1.252500    
 H  -0.5789000     -0.4077000      -1.848700    
 H   -1.341800      -3.098700      0.4842000    
 H  -0.7640000      -2.421200      -1.078900    
 H  -0.8938000      -1.585100       2.579400    
 H   0.4492000      -2.700900       2.353200    
 H   -4.792100     -0.7958000      0.3405000    
 H   -5.166800      0.8457000     -0.2216000    
 H   -3.921200      0.8901000       2.068700    
 H   -2.243800       1.418900       1.881600    
 H   0.8267000       2.690800     -0.4633000    
 H    1.754300      -1.291700      -1.832800    
 H    3.204700       3.298600     -0.6265000    
 H    4.129800     -0.6871000      -1.984600    
 H   0.8992000      -5.445100     -0.9165000    
 H    1.421400      0.1838000       4.389700    
 H   -5.230500      -1.549900      -2.998500    
 H   -4.533600       4.259500       1.652200    


%chk=000125135-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125135

0 1
S 7.397909 3.534588 -1.013682
O 0.370288 -5.235149 -0.755751
O 1.131106 -1.685713 4.214874
O 1.903310 -3.838743 0.294956
O 0.966956 0.062570 2.699220
O -5.691216 -0.006571 -2.453667
O -3.053775 3.617388 2.175924
O -3.402685 -0.365542 -2.617731
O -3.468463 3.395690 -0.100203
N -0.198510 -1.914911 0.781966
N -3.093102 0.520679 0.137833
N 4.834560 2.312441 -1.034166
C -0.858198 -0.659168 0.319889
C -2.416792 -0.785021 0.328702
C -0.347535 -0.191588 -1.072633
C -0.476636 -3.128181 0.015476
C -0.100245 -2.154099 2.226261
C 1.029447 0.453557 -1.051865
C -4.419636 0.460364 -0.489025
C -3.048682 1.385982 1.322038
C 1.177165 1.819188 -1.409833
C 2.194094 -0.274888 -0.686228
C 0.740594 -4.050476 -0.103634
C 0.714341 -1.121696 3.001108
C -4.387093 -0.011550 -1.938022
C -3.213980 2.869655 1.002020
C 2.437350 2.449171 -1.407249
C 3.461154 0.336982 -0.677208
C 3.590576 1.705811 -1.039540
C 5.923288 2.829677 -1.024980
H -0.552863 0.113486 1.045680
H -2.721722 -1.442854 -0.503214
H -2.738566 -1.279681 1.281090
H -1.095771 0.523677 -1.455739
H -0.358072 -1.044055 -1.781084
H -1.314749 -3.749945 0.411899
H -0.769714 -2.861368 -1.015679
H -1.092165 -2.217773 2.745228
H 0.395557 -3.124593 2.396755
H -5.150074 -0.190648 0.053922
H -4.854885 1.475213 -0.511030
H -3.815338 1.132148 2.098069
H -2.071261 1.278827 1.823850
H 0.290760 2.397129 -1.697064
H 2.101976 -1.322367 -0.381773
H 2.542318 3.502309 -1.686632
H 4.353311 -0.229230 -0.391201
H 1.167163 -5.823333 -0.856576
H 1.627974 -1.003020 4.742942
H -5.670718 -0.294086 -3.406446
H -3.156350 4.586218 1.971452


